HRID1128385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2776574

2,2,3,3-Tetrafluoro-2,3-dihydro-1,4-benzodioxin-6-amine

C8H5F4NO2

HCID5372812

1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde

C8H6N2O

结构：Nc1ccsc1C(=O)Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2

HCID86594333

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1sccc1NCc1c[nH]c2ncccc12

HCID10480185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd2dc94b6af946319117703b4b45d37f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[NH2:1][c:2]1[c:3]([C:7](=[O:8])[NH:9][c:10]2[cH:11][c:12]3[c:13]([cH:22][cH:23]2)[O:14][C:15]([F:20])([F:21])[C:16]([F:18])([F:19])[O:17]3)[s:4][cH:5][cH:6]1.[NH2:24][c:25]1[cH:26][cH:27][c:28]2[c:37]([cH:38]1)[O:36][C:33]([F:34])([F:35])[C:30]([F:31])([F:32])[O:29]2.[nH:39]1[cH:40][c:41]([CH:48]=[O:49])[c:42]2[cH:43][cH:44][cH:45][n:46][c:47]12>>[NH:1]([c:2]1[c:3]([C:7](=[O:8])[NH:9][c:10]2[cH:11][c:12]3[c:13]([cH:22][cH:23]2)[O:14][C:15]([F:20])([F:21])[C:16]([F:18])([F:19])[O:17]3)[s:4][cH:5][cH:6]1)[CH2:48][c:41]1[cH:40][nH:39][c:47]2[c:42]1[cH:43][cH:44][cH:45][n:46]2